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ISOMER-II

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ISOMER-II
SpectraBase Compound ID 3tV6JNYJNCs
InChI InChI=1S/C41H46F3N2O6P/c1-27(2)46(28(3)4)53(50-24-10-23-45)52-37-25-36(34-21-22-35(42)40(44)39(34)43)51-38(37)26-49-41(29-11-8-7-9-12-29,30-13-17-32(47-5)18-14-30)31-15-19-33(48-6)20-16-31/h7-9,11-22,27-28,36-38H,10,24-26H2,1-6H3/t36-,37+,38-,53?/m1/s1
InChIKey SEIPCQLYYSBWMJ-PAVOFCMISA-N
Mol Weight 750.8 g/mol
Molecular Formula C41H46F3N2O6P
Exact Mass 750.304559 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lDjDS5Dqtq
Name ISOMER-II
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H46F3N2O6P
InChI InChI=1S/C41H46F3N2O6P/c1-27(2)46(28(3)4)53(50-24-10-23-45)52-37-25-36(34-21-22-35(42)40(44)39(34)43)51-38(37)26-49-41(29-11-8-7-9-12-29,30-13-17-32(47-5)18-14-30)31-15-19-33(48-6)20-16-31/h7-9,11-22,27-28,36-38H,10,24-26H2,1-6H3/t36-,37+,38-,53?/m1/s1
InChIKey SEIPCQLYYSBWMJ-PAVOFCMISA-N
Literature Reference Author A.A.HENRY,A.G.OLSEN,S.MATSUDA,C.YU,B.H.GEIERSTANGER,F.E.ROME SBERG
Literature Reference Citation J.AM.CHEM.SOC.,126,6923(2004)
Literature Reference DOI 10.1021/ja049961u
Solvent CDCl3
Source File Reference UWVN31756